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Hi,
I know CP2K can print electric field gradient for each atom, but can CP2K print electric field for each atom? Thanks!
Fangyong
hut...@chem.uzh.ch
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Mar 13, 2020, 12:51:54 PM3/13/20
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Hi
there is no direct way to do this available.
However, you can get the electric field as a cube file and then
interpolate the grid values for the atomic positions.